⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Carbon Tetrachloride SCHEMBL11857426 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL14270646 | 0.71 | — | — | |
| SCHEMBL27941285 | 0.71 | — | — | |
| Benzene SCHEMBL17065923 | 0.71 | CA2 (0.38) | — | |
| SCHEMBL3633740 | 0.71 | — | — | |
| SCHEMBL824022 | 0.71 | — | — | |
| SCHEMBL251442 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.71 | — | — | |
| SCHEMBL2326221 | 0.69 | — | — | |
| SCHEMBL822874 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321667-B | Ursolic acid piperazine dithioformic acid-pyridine ruthenium complex and preparation method and application thereof | 桂林医学院 | 2021-08-10 | — | — | CN | disclosed |
| CN-112321667-A | Ursolic acid piperazine dithioformic acid-pyridine ruthenium complex and preparation method and application thereof | 桂林医学院 | 2021-02-05 | — | — | CN | disclosed |